SCHEMBL18525565

SCHEMBL18525565

CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2c3ccccc3cc3ccccc23)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
G6PD P11413 1/20 0.38
MAPT P10636 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.38
ALOX15 P16050 2/20 0.38
THRB P10828 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
APAF1 O14727 1/20 0.36
ATM Q13315 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HPGD P15428 5/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20354121 0.94 MAPT (0.40) KMT2APOLBL3MBTL1G6PDMAPT
SCHEMBL18525567 0.92 PKM (0.37) KMT2APOLBL3MBTL1G6PDMAPT
SCHEMBL18489497 0.82 HPGD (0.41) KMT2APOLBL3MBTL1G6PDMAPT
SCHEMBL23644530 0.82 HPGD (0.41) KMT2APOLBL3MBTL1G6PDMAPT
SCHEMBL469486 0.81 KMT2A (0.46) KMT2APOLBL3MBTL1MAPTTHRB
SCHEMBL30933094 0.79 KMT2A (0.60) KMT2APOLBL3MBTL1MAPTCYP1A2
SCHEMBL10182675 0.79 ALDH1A1 (0.59) KMT2APOLBL3MBTL1MAPTALOX15
SCHEMBL18489492 0.79 ALDH1A1 (0.47) KMT2APOLBL3MBTL1MAPTCYP1A2
SCHEMBL18489491 0.79 ALDH1A1 (0.47) KMT2APOLBL3MBTL1MAPTCYP1A2
SCHEMBL12379905 0.77 AMY1A (0.43) KMT2APOLBL3MBTL1MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186902-A1 CATALYSTS QATAR FOUNDATION (QA) 2018-07-05 US disclosed
US-20180186902-A1 CATALYSTS QATAR FOUNDATION (QA) 2018-07-05 US disclosed
WO-2017025701-A1 CATALYSTS QATAR FOUNDATION (QA) 2017-02-16 WO disclosed